Vermixocin B

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Systematic / IUPAC Name: [1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate

ID: Reference7976

Other Names: Purpactin A;
Vermixocin B;
1-(11-Hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-dibenzo[b,g][1,5]dioxocin-3-yl)-3-methylbutyl acetate;
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 3-[1-(acetyloxy)-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-

Formula: C23H26O7

Spectral Data

Vermixocin B mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/17/2018 10:03:15 AM
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Identificators

InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3
InChI Key NUYFKDBCHFKOBT-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC(=O)C)O
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Other Names Purpactin A;
Vermixocin B;
1-(11-Hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-dibenzo[b,g][1,5]dioxocin-3-yl)-3-methylbutyl acetate;
5H,7H-Dibenzo[b,g][1,5]dioxocin-5-one, 3-[1-(acetyloxy)-3-methylbutyl]-11-hydroxy-4-methoxy-9-methyl-

In Other Databases

ChEMBL CHEMBL1374574
Wikipedia Vermixocin
PubChem 131673
ChemSpider 116341
ChemIDPlus 133806594